MMs01466119 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 2.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4988 0.7176 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9435 -1.5314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4091 -1.8506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1656 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1675 0.5644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4866 2.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3769 3.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6961 4.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5864 5.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1575 5.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8384 3.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9481 2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6581 -0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2751 0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7676 1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6432 -0.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0263 -1.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5338 -1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9168 -2.9911 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 -0.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 -1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 1.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0787 1.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4202 -0.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9628 -0.9490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5970 1.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1276 3.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 4.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8418 6.6867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2698 5.8652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6953 3.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6927 1.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5746 1.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2612 2.2045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8373 0.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7268 -2.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 M END